2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide

C16H20Cl2N2O — CID 104727193

IUPAC2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C16H20Cl2N2O/c1-4-6-16(10-19,7-5-2)15(21)20-14-9-12(17)11(3)8-13(14)18/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKeyJRDLCAVWDMDMKM-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.35
Rot. Bonds6

About 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide

2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide (PubChem CID 104727193) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide
PubChem CID104727193
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C16H20Cl2N2O/c1-4-6-16(10-19,7-5-2)15(21)20-14-9-12(17)11(3)8-13(14)18/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKeyJRDLCAVWDMDMKM-UHFFFAOYSA-N
XLogP5.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide
CID 62907903
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide
CID 79043206
3-(2,5-dichloro-4-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 104727936
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(2-bromo-4-cyanophenyl)-2-cyano-2-propylpentanamide
CID 107790774
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177
2-(2,5-dichloro-4-methylanilino)-2-oxoacetic acid
CID 104727934
2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
CID 62303424

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide (CID 104727193) is 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide?
The InChIKey is JRDLCAVWDMDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-4-6-16(10-19,7-5-2)15(21)20-14-9-12(17)11(3)8-13(14)18/h8-9H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide?
2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide has a molecular weight of 327.26 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide is sourced from PubChem (CID 104727193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).